Application of multiscale simulation in mineral flotation and reagent molecular design
Zhou Junjie
Zhengzhou University, Zhengzhou, 450001 Henan, China
EXTENDED ABSTRACT: This paper takes the flotation of andalusite as the research object, conducts crystal examination and quantum chemistry research on andalusite minerals from the microscopic scale, and explores the adsorption of minerals and collectors under different solution environments. The three phase coarse granulation model of collector, ore and water was established by using dissipative particle dynamics (DPD), and the aggregation phenomenon of collector with different concentration and configuration in aqueous solution was studied, and the changes of interfacial tension and interfacial relative concentration were investigated. By studying the internal mechanism and influencing factors of flotation at microscopic and mesoscopic scales, theoretical support and relevant data were provided for the simulation of internal flow field in the stirred reactor on the macro level. Finally, mathematical modeling and flow field analysis were carried out for the flotation agitator, and theoretical basis was provided for improving the efficiency and production quality of mineral flotation.
图1. 十二烷基磺酸根阴离子与红柱石（100）面的吸附构型
图2. 十二烷基磺酸根离子/水/红柱石（100）体系结构图
图3. 不同SDS浓度(0.03和0.08）的矿物／水／SDS体系结构图
Zhou Junjie, associate professor, male, born in March 1974, member of the Communist Party of China, graduated from Xi'an Jiaotong University in 2005 with a doctorate. He is now an associate professor of the school of mechanical and power engineering of Zhengzhou University, director of the Institute of Engineering Thermophysics and energy environment, senior member of China Refrigeration society, member of computational chemistry of China Chemical Society, energy saving audit expert of Henan Province, reviewer of many journals at home and abroad, and has long been engaged in computer-aided engineering, computational fluid and numerical heat transfer, Teaching and scientific research in computational chemistry, energy conservation and emission reduction, familiar with engineering simulation technology. He presided over 1 National Natural Science Foundation project, 1 provincial education department science and technology research project, 2 Zhengzhou science and technology research projects, participated in 1 National 973 basic research planning project, 5 National Natural Science Foundation projects, completed more than 10 horizontal topics in automobile, electric power, petrochemical and other fields, obtained 5 patent licenses, 2 software copyrights, and published more than 100 papers in domestic and foreign journals, He has published 2 works, among which fluent engineering technology and case analysis won the second prize of excellent works in natural science of Henan Province.